Spektraris NMR
taxumairone A
Common Name: taxumairone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H32O8/c1-13-20(32-14(2)27)11-18-21(33-15(3)28)10-17-12-26(7,9-8-19(17)30)24(31)23(34-16(4)29)22(13)25(18,5)6/h8-10,18,20-21,23H,11-12H2,1-7H3/b17-10+/t18-,20?,21?,23?,26+/m0/s1
InChIKey: HSXMZIXLJMFTAI-PWMYGBMLSA-N
Formula: C26H32O8
Molecular Weight: 472.534
Exact Mass: 472.2097
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: Shen, Y.
Chen, C.
Hung, M. Taxane diterpenoids from seeds of Taxus mairei. Chem. Pharm. Bull. 2000, 48, 1344.
Species: Taxus mairei seeds collected in Tien-shiung, Hua-lein County, Taiwan in December of 1997
Notes: NMR callibration and MHz unknown
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.8 | m | |
| 2 | 5.76 | dd | 10.5 |
| 3α | 2.6 | d | 14 |
| 3β | 3.08 | dd | 14, 2 |
| 6 | 6.29 | d | 10.2 |
| 7 | 6.76 | dd | 10.2, 1.8 |
| 10 | 6.08 | s | 6.08 |
| 13 | 5.26 | d | 5.26 |
| 14α | 2.67 | m | 2.67 |
| 14β | 2.02 | m | 2.02 |
| 16 | 1.26 | s |
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